ethyl 4-carbamimidoylsulfanyl-6-cycloheptyl-quinoline-3-carboxylate hydrochloride

Systemtic Name: ethyl 4-carbamimidoylsulfanyl-6-cycloheptyl-quinoline-3-carboxylate hydrochloride Openeye Name: ethyl 4-carbamimidoylsulfanyl-6-cycloheptyl-quinoline-3-carboxylate hydrochloride CAS Name: 4-(carbamimidoylthio)-6-cycloheptyl-3-quinolinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-carbamimidoylsulfanyl-6-cycloheptylquinoline-3-carboxylate hydrochloride Traditional Name: 4-(amidinothio)-6-cycloheptyl-quinoline-3-carboxylic acid ethyl ester hydrochloride Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC(=N)N)C3CCCCCC3.Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1SC(=N)N)C3CCCCCC3.Cl

InChI

InChI=1S/C20H25N3O2S.ClH/c1-2-25-19(24)16-12-23-17-10-9-14(13-7-5-3-4-6-8-13)11-15(17)18(16)26-20(21)22;/h9-13H,2-8H2,1H3,(H3,21,22);1H